4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine

C₅H₄ClN₅CAS 100644-65-3169.57 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄ClN₅
Molar mass: 169.57 g/mol
Exact mass: 169.0155 Da
logP: 0.59Crippen estimate
Polar surface area: 80.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

100644-65-3

SMILES

C1=NNC2=C1C(=NC(=N2)N)Cl

InChIKey

ASKOHPBJRRSUSJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-850 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-838 % similar 4-Chloro (1H)indazole13096-96-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-6-chloropurine10310-21-1 2-Chloroadenine1839-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook